N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide

C22H21ClN6O — CID 134178259

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
InChIInChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)18(12)11-27-22(30)21-26-10-17(29-21)7-14-3-4-19-15(6-14)8-16(23)9-25-19/h3-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyIJVOWAQEKPWMPD-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.73
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide (PubChem CID 134178259) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
PubChem CID134178259
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)[nH]1
InChIInChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)18(12)11-27-22(30)21-26-10-17(29-21)7-14-3-4-19-15(6-14)8-16(23)9-25-19/h3-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30)
InChIKeyIJVOWAQEKPWMPD-UHFFFAOYSA-N
XLogP3.73
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide (CID 134178259) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1ncc(Cc2ccc3ncc(Cl)cc3c2)[nH]1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
The InChIKey is IJVOWAQEKPWMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-12-5-20(24)28-13(2)18(12)11-27-22(30)21-26-10-17(29-21)7-14-3-4-19-15(6-14)8-16(23)9-25-19/h3-6,8-10H,7,11H2,1-2H3,(H2,24,28)(H,26,29)(H,27,30).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 134178259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).